(2S,4R,6S,7R,8R,13S)-7-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-10-phenacyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (2S,4R,6S,7R,8R,13S)-7-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-10-phenacyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (2S,4R,6S,7R,8R,13S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-10-phenacyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (2S,4R,6S,7R,8R,13S)-7-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-10-phenacyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (2S,4R,6S,7R,8R,13S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-10-phenacyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (2S,4R,6S,7R,8R,13S)-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-10-phenacyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C39H58N2O11 MolecularWeight: 730.88462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)CC(=O)C3=CC=CC=C3)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@H]1C2(C([C@@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)CC(=O)C3=CC=CC=C3)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

InChI

InChI=1S/C39H58N2O11/c1-12-28-39(8)31(40-36(47)52-39)23(4)29(43)21(2)19-38(7,48-11)33(51-34-30(44)26(41(9)10)18-22(3)49-34)24(5)32(45)37(6,35(46)50-28)20-27(42)25-16-14-13-15-17-25/h13-17,21-24,26,28,30-31,33-34,44H,12,18-20H2,1-11H3,(H,40,47)/t21-,22-,23-,24+,26+,28+,30-,31?,33-,34?,37?,38+,39?/m1/s1